UCSF

ZINC13128890

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 35 No

Popular Name: 5-[(2Z)-2-(3-chloro-4-methyl-phenyl)imino1,3-thiazinane-3-carbonyl]-2-(4-pyridylmethyl)isoindoline-1 5-[(2Z)-2-(3-chloro-4-methyl-phe…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.09 11.88 -12.06 0 7 0 85 504.999 4 ↓
Ref Reference (pH 7) 4.09 11.68 -11.52 0 7 0 85 504.999 4 ↓
Lo Low (pH 4.5-6) 4.09 12.09 -38.15 1 7 1 86 506.007 4 ↓
Lo Low (pH 4.5-6) 4.09 12.13 -42.44 1 7 1 86 506.007 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.